CID 10943609

(+)-2-sterpurene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=C2CC(C[C@H]2C[C@]3([C@@H]1CC3)C)(C)C
InChI
InChI=1S/C15H24/c1-10-12-9-14(2,3)7-11(12)8-15(4)6-5-13(10)15/h11,13H,5-9H2,1-4H3/t11-,13+,15-/m0/s1
InChIKey
HULFPDOHEQOINC-LNSITVRQSA-N
Compound name
(3S,6S,8S)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

204.1878 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 148.6
[M+Na]+ 227.17702 156.2
[M-H]- 203.18052 154.2
[M+NH4]+ 222.22162 169.8
[M+K]+ 243.15096 154.8
[M+H-H2O]+ 187.18506 140.9
[M+HCOO]- 249.18600 165.6
[M+CH3COO]- 263.20165 193.5
[M+Na-2H]- 225.16247 152.3
[M]+ 204.18725 155.9
[M]- 204.18835 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe